N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H13N3O4S — CID 107468239

IUPACN-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H13N3O4S/c1-8-13(9(2)20-15-8)21(17,18)16-12-10(7-14)5-4-6-11(12)19-3/h4-6,16H,1-3H3
InChIKeyIYPDFGXPEHLKKQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.97
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 107468239) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID107468239
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C13H13N3O4S/c1-8-13(9(2)20-15-8)21(17,18)16-12-10(7-14)5-4-6-11(12)19-3/h4-6,16H,1-3H3
InChIKeyIYPDFGXPEHLKKQ-UHFFFAOYSA-N
XLogP1.97
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 107468276
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113022734
1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
CID 107468261
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 154750375
N-[5-(3-cyanoanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113037237
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113041737
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 107468239) is N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1cccc(C#N)c1NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is IYPDFGXPEHLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-8-13(9(2)20-15-8)21(17,18)16-12-10(7-14)5-4-6-11(12)19-3/h4-6,16H,1-3H3.
What are the key properties of N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 307.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 107468239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).